80 lines
2.3 KiB
Fortran
80 lines
2.3 KiB
Fortran
FUNCTION f_lammps_no_mpi_no_args() BIND(C, name="f_lammps_no_mpi_no_args")
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USE ISO_C_BINDING, ONLY: c_ptr
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USE liblammps
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USE keepstuff, ONLY: lmp
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IMPLICIT NONE
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TYPE(c_ptr) :: f_lammps_no_mpi_no_args
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lmp = lammps()
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f_lammps_no_mpi_no_args = lmp%handle
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END FUNCTION f_lammps_no_mpi_no_args
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FUNCTION f_lammps_no_mpi_with_args() BIND(C, name="f_lammps_no_mpi_with_args")
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USE ISO_C_BINDING, ONLY: c_ptr
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USE liblammps
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USE keepstuff, ONLY: lmp
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IMPLICIT NONE
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TYPE(c_ptr) :: f_lammps_no_mpi_with_args
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CHARACTER(len=12), DIMENSION(4), PARAMETER :: args = &
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[ CHARACTER(len=12) :: 'liblammps', '-log', 'none', '-nocite' ]
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lmp = lammps(args)
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f_lammps_no_mpi_with_args = lmp%handle
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END FUNCTION f_lammps_no_mpi_with_args
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FUNCTION f_lammps_open_no_args() BIND(C, name="f_lammps_open_no_args")
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USE ISO_C_BINDING, ONLY: c_ptr
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USE MPI, ONLY: MPI_COMM_WORLD, mpi_comm_split
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USE liblammps
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USE keepstuff, ONLY: lmp,mycomm
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IMPLICIT NONE
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TYPE(c_ptr) :: f_lammps_open_no_args
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INTEGER :: color, key, ierr
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color = 1
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key = 1
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CALL mpi_comm_split(MPI_COMM_WORLD, color, key, mycomm, ierr)
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lmp = lammps(comm=mycomm)
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f_lammps_open_no_args = lmp%handle
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END FUNCTION f_lammps_open_no_args
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FUNCTION f_lammps_open_with_args() BIND(C, name="f_lammps_open_with_args")
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USE ISO_C_BINDING, ONLY: c_ptr
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USE MPI, ONLY: MPI_COMM_WORLD, mpi_comm_split
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USE liblammps
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USE keepstuff, ONLY: lmp,mycomm
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IMPLICIT NONE
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TYPE(c_ptr) :: f_lammps_open_with_args
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INTEGER :: color, key, ierr
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CHARACTER(len=12), DIMENSION(4), PARAMETER :: args = &
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[ CHARACTER(len=12) :: 'liblammps', '-log', 'none', '-nocite' ]
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color = 2
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key = 1
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CALL mpi_comm_split(MPI_COMM_WORLD, color, key, mycomm, ierr)
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lmp = lammps(args,mycomm)
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f_lammps_open_with_args = lmp%handle
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END FUNCTION f_lammps_open_with_args
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SUBROUTINE f_lammps_close() BIND(C, name="f_lammps_close")
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USE ISO_C_BINDING, ONLY: c_null_ptr
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USE liblammps
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USE keepstuff, ONLY: lmp
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IMPLICIT NONE
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CALL lmp%close()
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lmp%handle = c_null_ptr
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END SUBROUTINE f_lammps_close
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FUNCTION f_lammps_get_comm() BIND(C, name="f_lammps_get_comm")
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USE ISO_C_BINDING, ONLY: c_int
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USE liblammps
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USE keepstuff, ONLY: mycomm
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IMPLICIT NONE
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INTEGER(c_int) :: f_lammps_get_comm
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f_lammps_get_comm = mycomm
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END FUNCTION f_lammps_get_comm
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